Geometry & MOs

Info

ID:	34813
PubChem CID:	7978962
Reduced:	SN2F3O4C17H17 (1)
Stoich.:	AB2C3D4E17F17 (1)
Weight, g/mol:	357.151098
ΔH_f, kcal/mol:	-306.23
Dipole, Da:	7.27
IP(EA), eV:	-9.42(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-[[2-(2,6-dimethylphenoxy)acetyl]amino]-1-methylthiourea

Drug info:

PubChemData

Smile

C1C[C@@]2(N(C1=O)[C@@H](CS2)C(=O)OCC(=O)NCC(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations